2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide

C16H24N2O2 — CID 114925311

IUPAC2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
SMILESCC(NC(=O)C(N)CCc1ccccc1)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-12(15-8-5-11-20-15)18-16(19)14(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11,17H2,1H3,(H,18,19)
InChIKeyCZTAXIXCIJHMMF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds6

About 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide

2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide (PubChem CID 114925311) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
PubChem CID114925311
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
SMILESCC(NC(=O)C(N)CCc1ccccc1)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-12(15-8-5-11-20-15)18-16(19)14(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11,17H2,1H3,(H,18,19)
InChIKeyCZTAXIXCIJHMMF-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104904745
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide;dihydrochloride
CID 119728584
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
2-amino-N-[1-(oxolan-2-yl)ethyl]butanediamide
CID 60848182

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide (CID 114925311) is 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide is CC(NC(=O)C(N)CCc1ccccc1)C1CCCO1.
What is the InChIKey of 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
The InChIKey is CZTAXIXCIJHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(15-8-5-11-20-15)18-16(19)14(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 114925311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).